The dynamics of the expulsion of the last liquid monolayer of molecules confined between two surfaces (measured recently for the first time) has been analyzed by solving the two-dimensional Navier-Stokes equation combined with kinetic Monte Carlo simulations. Instabilities in the boundary line of the expelled film were observed. We show that the instabilities produce a rough boundary for all length scales above a critical value and a smooth boundary for shorter lengths. The squeezing out of all but a few trapped islands of liquid is shown to be the result of the pressure gradient in the contact area.
The properties of Xe, CH 4 and C 16 H 34 lubricant confined between two approaching solids are investigated by a model that accounts for the curvature and elastic properties of the solid surfaces. We consider both smooth surfaces, and surfaces with short-scale roughness. In most cases we observe well defined molecular layers develop in the lubricant film when the width of the film is of the order of a few atomic diameters, but in some cases atomic scale roughness inhibit the formation of these layers, and the lubricant exhibit liquid-like properties. An external squeezing-pressure induces discontinuous, thermally activated changes in the number n of lubricant layers. We observe that the layering transition tends to nucleate in disordered or imperfect regions in the lubrication film. We also present and discuss results of sliding dynamics for Xe and C 16 H 34 lubrication films.
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